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Theoretical analysis of Fe/Cu(001) ultrathin films by density functional theory

International Symposium on Computics: Quantum Simulation and Design (ISC-QSD), Tokyo,Japan

2014年12月3日(水)
(2014.12.03 更新)

Yasutomi Tatetsu, Shinji Tsuneyuki, and Yoshihiro Gohda

概要/Abstract

In Fe/Cu(001) magnetic thin films, peculiar structural and magnetic properties of Fe have beenreported but its ground state are still controversal. In this study, we performed first-principlescalculations in order to clarify the electronic and magnetic structures of Fe/Cu(001) films. Ourstructural model is so called a slab model and structural optimisation is considered tocalculate a realistic structure of this system. From our calculations, the enhanced magneticmoment is obtained at the interlayer and surface. In the thickness of Fe layers with 4 to 7, thetop two Fe layers couple ferromagnetically which is in good agreement with experimentalresults.



研究活動

文部科学省

文部科学省
元素戦略プロジェクト(活動紹介)
NIMS磁石パートナーシップ

元素戦略拠点

触媒・電池元素戦略拠点
触媒・電池元素戦略研究拠点 (京都大学)
東工大元素戦略拠点
東工大元素戦略拠点 (東京工業大学)
構造材料元素戦略研究拠点
構造材料元素戦略研究拠点 (京都大学)
高効率モーター用磁性材料技術研究組合
高効率モーター用 磁性材料技術研究組合